N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C16H26N4O2 — CID 129334130

IUPACN-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(CC3(O)CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O2/c1-13(21)17-15-6-10-20(18-15)14-5-9-19(11-14)12-16(22)7-3-2-4-8-16/h6,10,14,22H,2-5,7-9,11-12H2,1H3,(H,17,18,21)/t14-/m1/s1
InChIKeyNFCJBNCJZKVFEY-CQSZACIVSA-N
MW306.41 g/mol
LogP1.78
Rot. Bonds4

About N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129334130) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129334130
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(CC3(O)CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O2/c1-13(21)17-15-6-10-20(18-15)14-5-9-19(11-14)12-16(22)7-3-2-4-8-16/h6,10,14,22H,2-5,7-9,11-12H2,1H3,(H,17,18,21)/t14-/m1/s1
InChIKeyNFCJBNCJZKVFEY-CQSZACIVSA-N
XLogP1.78
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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CID 129004093
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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N-[1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129003877
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335489
(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
CID 164630590
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129334130) is N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(CC3(O)CCCCC3)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is NFCJBNCJZKVFEY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(21)17-15-6-10-20(18-15)14-5-9-19(11-14)12-16(22)7-3-2-4-8-16/h6,10,14,22H,2-5,7-9,11-12H2,1H3,(H,17,18,21)/t14-/m1/s1.
What are the key properties of N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).